Update instructions in containers.rst
[gromacs.git] / src / gromacs / listed_forces / tests / refdata / Bond_ListedForcesTest_Ifunc_15.xml
blobf4bcc823d3a9bcf349a49d8cc776ab906c5d219f
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <FunctionType Name="MORSE">
5     <FEP Name="Yes">
6       <Lambda Name="0">
7         <Real Name="Epot ">0.0050728139182472523</Real>
8         <Real Name="dVdlambda ">-0.072414585075343207</Real>
9         <Sequence Name="Forces">
10           <Int Name="Length">4</Int>
11           <Vector>
12             <Real Name="X">-0.77176008581511446</Real>
13             <Real Name="Y">-0.10697664555853084</Real>
14             <Real Name="Z">0.87109554240517972</Real>
15           </Vector>
16           <Vector>
17             <Real Name="X">0.85454406165755559</Real>
18             <Real Name="Y">-0.92406014447913343</Real>
19             <Real Name="Z">-0.36686587136486259</Real>
20           </Vector>
21           <Vector>
22             <Real Name="X">-0.85709367051145291</Real>
23             <Real Name="Y">0.91827324227033313</Real>
24             <Real Name="Z">0.33773815228909299</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">0.77430969466901178</Real>
28             <Real Name="Y">0.11276354776733109</Real>
29             <Real Name="Z">-0.84196782332941011</Real>
30           </Vector>
31         </Sequence>
32         <Shift-Forces Name="Shift-forces">
33           <Vector Name="Central">
34             <Real Name="X">0</Real>
35             <Real Name="Y">0</Real>
36             <Real Name="Z">0</Real>
37           </Vector>
38         </Shift-Forces>
39       </Lambda>
40       <Lambda Name="0.5">
41         <Real Name="Epot ">0.022231664464439783</Real>
42         <Real Name="dVdlambda ">0.111449958866329</Real>
43         <Sequence Name="Forces">
44           <Int Name="Length">4</Int>
45           <Vector>
46             <Real Name="X">1.3841045667581449</Real>
47             <Real Name="Y">0.19185607856053513</Real>
48             <Real Name="Z">-1.5622566397072146</Real>
49           </Vector>
50           <Vector>
51             <Real Name="X">-1.535891250885177</Real>
52             <Real Name="Y">1.6985780782942992</Real>
53             <Real Name="Z">0.6377377454789388</Real>
54           </Vector>
55           <Vector>
56             <Real Name="X">1.5737597606763727</Real>
57             <Real Name="Y">-1.6833506991049316</Real>
58             <Real Name="Z">-0.62170425697100562</Real>
59           </Vector>
60           <Vector>
61             <Real Name="X">-1.4219730765493406</Real>
62             <Real Name="Y">-0.20708345774990267</Real>
63             <Real Name="Z">1.5462231511992814</Real>
64           </Vector>
65         </Sequence>
66         <Shift-Forces Name="Shift-forces">
67           <Vector Name="Central">
68             <Real Name="X">0</Real>
69             <Real Name="Y">0</Real>
70             <Real Name="Z">0</Real>
71           </Vector>
72         </Shift-Forces>
73       </Lambda>
74       <Lambda Name="1">
75         <Real Name="Epot ">0.092149784915306357</Real>
76         <Real Name="dVdlambda ">0.14897508514502719</Real>
77         <Sequence Name="Forces">
78           <Int Name="Length">4</Int>
79           <Vector>
80             <Real Name="X">2.4025831987348694</Real>
81             <Real Name="Y">0.33303133447810107</Real>
82             <Real Name="Z">-2.7118265807502517</Real>
83           </Vector>
84           <Vector>
85             <Real Name="X">-2.6650605026150114</Real>
86             <Real Name="Y">2.936004177483631</Real>
87             <Real Name="Z">1.1131011843894061</Real>
88           </Vector>
89           <Vector>
90             <Real Name="X">2.7207612857445689</Real>
91             <Real Name="Y">-2.9110329903309924</Real>
92             <Real Name="Z">-1.0743600984820236</Real>
93           </Vector>
94           <Vector>
95             <Real Name="X">-2.4582839818644269</Real>
96             <Real Name="Y">-0.35800252163073948</Real>
97             <Real Name="Z">2.6730854948428693</Real>
98           </Vector>
99         </Sequence>
100         <Shift-Forces Name="Shift-forces">
101           <Vector Name="Central">
102             <Real Name="X">0</Real>
103             <Real Name="Y">0</Real>
104             <Real Name="Z">0</Real>
105           </Vector>
106         </Shift-Forces>
107       </Lambda>
108     </FEP>
109   </FunctionType>
110 </ReferenceData>